tert-butyl-dimethyl-(11-methylideneheptadec-9-yn-8-yloxy)silane

C24H46OSi — CID 11047110

IUPACtert-butyl-dimethyl-(11-methylideneheptadec-9-yn-8-yloxy)silane
SMILESC=C(C#CC(CCCCCCC)O[Si](C)(C)C(C)(C)C)CCCCCC
InChIInChI=1S/C24H46OSi/c1-9-11-13-15-17-19-23(25-26(7,8)24(4,5)6)21-20-22(3)18-16-14-12-10-2/h23H,3,9-19H2,1-2,4-8H3
InChIKeyVEHXIFQDPXCKEK-UHFFFAOYSA-N
MW378.72 g/mol
LogP8.27
Rot. Bonds13

About tert-butyl-dimethyl-(11-methylideneheptadec-9-yn-8-yloxy)silane

tert-butyl-dimethyl-(11-methylideneheptadec-9-yn-8-yloxy)silane (PubChem CID 11047110) has the molecular formula C24H46OSi and a molecular weight of 378.72 g/mol. Its IUPAC name is tert-butyl-dimethyl-(11-methylideneheptadec-9-yn-8-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(11-methylideneheptadec-9-yn-8-yloxy)silane
PubChem CID11047110
Molecular FormulaC24H46OSi
Molecular Weight378.72 g/mol
Exact Mass378.33
IUPAC Nametert-butyl-dimethyl-(11-methylideneheptadec-9-yn-8-yloxy)silane
SMILESC=C(C#CC(CCCCCCC)O[Si](C)(C)C(C)(C)C)CCCCCC
InChIInChI=1S/C24H46OSi/c1-9-11-13-15-17-19-23(25-26(7,8)24(4,5)6)21-20-22(3)18-16-14-12-10-2/h23H,3,9-19H2,1-2,4-8H3
InChIKeyVEHXIFQDPXCKEK-UHFFFAOYSA-N
XLogP8.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.72
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Silane, diethyl(2,7-dimethyloct-1-en-3-yn-5-yloxy)nonyloxy-
CID 91743551
Silane, diethyl(2,7-dimethyloct-1-en-3-yn-5-yloxy)undecyloxy-
CID 91744291
Silane, diethyl(2,7-dimethyloct-1-en-3-yn-5-yloxy)dodecyloxy-
CID 91744598
Silane, diethyl(2,7-dimethyloct-1-en-3-yn-5-yloxy)pentadecyloxy-
CID 91745276
tert-butyl-dimethyl-[(4R)-undec-1-en-4-yl]oxysilane
CID 10850655
tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane
CID 11247187
triethyl-[(4R)-6-methylideneoct-1-yn-4-yl]oxysilane
CID 11265259
Tert-butyl-dimethyl-(2-methyltridec-2-en-4-yn-6-yloxy)silane
CID 134977729
tert-butyl-dimethyl-[(4S)-undec-1-en-4-yl]oxysilane
CID 135038122
tert-butyl-[(2S)-dodec-11-en-2-yl]oxy-dimethylsilane
CID 135039668
tert-butyl-dimethyl-[(2S)-non-8-en-2-yl]oxysilane
CID 135040998
Triethyl-(12-methoxy-3-methylidenedodecyl)silane
CID 135061990

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(11-methylideneheptadec-9-yn-8-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(11-methylideneheptadec-9-yn-8-yloxy)silane (CID 11047110) is tert-butyl-dimethyl-(11-methylideneheptadec-9-yn-8-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(11-methylideneheptadec-9-yn-8-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(11-methylideneheptadec-9-yn-8-yloxy)silane is C=C(C#CC(CCCCCCC)O[Si](C)(C)C(C)(C)C)CCCCCC.
What is the InChIKey of tert-butyl-dimethyl-(11-methylideneheptadec-9-yn-8-yloxy)silane?
The InChIKey is VEHXIFQDPXCKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46OSi/c1-9-11-13-15-17-19-23(25-26(7,8)24(4,5)6)21-20-22(3)18-16-14-12-10-2/h23H,3,9-19H2,1-2,4-8H3.
What are the key properties of tert-butyl-dimethyl-(11-methylideneheptadec-9-yn-8-yloxy)silane?
tert-butyl-dimethyl-(11-methylideneheptadec-9-yn-8-yloxy)silane has a molecular weight of 378.72 g/mol, XLogP of 8.27, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(11-methylideneheptadec-9-yn-8-yloxy)silane is sourced from PubChem (CID 11047110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).